I want to put partial charges on each atom of one surface of a cubic unit cell .
hi very good question
I am looking for appropriate questions for interview in phenomenology?
07 May 2024 1,091 3 View
I use the following equation to calculate: Percentage difference between treated and control cells = (O2 x A1) - (O1 x A2) (O2 x P1) - (O1 x P2) x100 Where: O1 = molar extinction...
02 October 2023 2,762 2 View
Every solution I synthesize has a high pH = 8 or above. (I had synthesized my solution by Bohner protocol) What are your recommendations to fix this problem?
17 February 2023 4,046 1 View
I am working on Casimir and Double layer force in liquid(water) by AFM, but many bubbles appear after injection of water into the AFM tip holder, I am not able to remove air bubbles from the...
17 July 2022 3,105 8 View
Hi, I was wondering if someone knows any techniques to find the relative abundances of strains in synthetic communities comprising the same species but with different genetic modifications? I...
09 June 2022 3,176 0 View
Tool or server for epitope prediction
25 January 2022 544 3 View
How to detect ghost texture and fuzzy zoning in CL images of zircon? What characteristics do they have?
05 January 2022 3,732 1 View
I'm searching list of scopus indexed journal For Art that gives as low as USD50 for APC . does anybody know some journal like this?
31 December 2021 2,150 2 View
We are working on RT_LAMP assay with Warmstart colorimetric 2X master mix E1804. We have a LAMP reaction and it is a ladder-like pattern on an agarose gel. The Tt(time of threshold) is about 19...
05 July 2021 2,319 0 View
I annealed AlCu alloy in salt bath at about 530° C for 30 mins and then quenched it in the water of 20° C. I have left the samples for about 2 months and after that there is no change in the...
08 December 2020 3,214 4 View
Hello experts, Does anyone know any free software about retention index prediction ?
08 August 2024 7,403 2 View
Molecular docking software/ websites?
02 August 2024 8,704 7 View
I'm trying to perform a frequency calculation using Gaussian via MOBAXterm. The output shows no errors, however, there's no frequency as a result on gausview. The option "vibrations" is not...
31 July 2024 631 4 View
I created a file with my outgroup and ingroup species using Beauti, ran it in BEAST, viewed it in Tracer, and then used TreeAnnotator to create a file that I imported into RASP. Could someone...
28 July 2024 2,979 1 View
How can we calculate the percentage of configuration interaction (CI) in the UV output data of the Gaussian program? for example: Excited State 17: Singlet-A 5.1359 eV 241.41 nm...
28 July 2024 9,165 2 View
I am reaching out to seek your valuable advice and recommendations regarding the best software tools to use for this research. Specifically, I am looking for software with a user-friendly...
22 July 2024 3,794 1 View
Hey all, I need help testing for multivariate outliers using STATA for my master thesis. The literature recommends the Minimum Covariance Determinant (MCD) (Verardi & Dehon, 2010). I found the...
22 July 2024 8,821 2 View
Dear Researchers, My question is associated with the "MDCI" method in Orca. Please let me clarify my question using a simple example: Suppose we are going to perform CBS extrapolation using "!...
21 July 2024 1,632 0 View
Hi everyone, I'm working on calculating the activation energies for some redox reactions using Gaussian, Here are the reactions I'm interesting: Py•−+ 3O2 → Py + 3O2•− Py•− + 1O2 → Py + 1O2•− Is...
18 July 2024 4,418 3 View
Using DFT/B3LYP/6-311++G
17 July 2024 7,720 1 View